acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine

C23H47NO2 — CID 145096142

IUPACacetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine
SMILESC1CCNCC1.C=C(C)C1C(O)CCC(CCC)C1CC.CC.CC=O
InChIInChI=1S/C14H26O.C5H11N.C2H4O.C2H6/c1-5-7-11-8-9-13(15)14(10(3)4)12(11)6-2;1-2-4-6-5-3-1;1-2-3;1-2/h11-15H,3,5-9H2,1-2,4H3;6H,1-5H2;2H,1H3;1-2H3
InChIKeyVQWSJCLCIXDUAW-UHFFFAOYSA-N
MW369.63 g/mol
LogP5.77
Rot. Bonds4

About acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine

acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine (PubChem CID 145096142) has the molecular formula C23H47NO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine.

Molecular Properties

Compound Nameacetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine
PubChem CID145096142
Molecular FormulaC23H47NO2
Molecular Weight369.63 g/mol
Exact Mass369.36
IUPAC Nameacetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine
SMILESC1CCNCC1.C=C(C)C1C(O)CCC(CCC)C1CC.CC.CC=O
InChIInChI=1S/C14H26O.C5H11N.C2H4O.C2H6/c1-5-7-11-8-9-13(15)14(10(3)4)12(11)6-2;1-2-4-6-5-3-1;1-2-3;1-2/h11-15H,3,5-9H2,1-2,4H3;6H,1-5H2;2H,1H3;1-2H3
InChIKeyVQWSJCLCIXDUAW-UHFFFAOYSA-N
XLogP5.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.63
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine?
The IUPAC name of acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine (CID 145096142) is acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine.
What is the SMILES notation for acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine?
The canonical SMILES for acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine is C1CCNCC1.C=C(C)C1C(O)CCC(CCC)C1CC.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine?
The InChIKey is VQWSJCLCIXDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O.C5H11N.C2H4O.C2H6/c1-5-7-11-8-9-13(15)14(10(3)4)12(11)6-2;1-2-4-6-5-3-1;1-2-3;1-2/h11-15H,3,5-9H2,1-2,4H3;6H,1-5H2;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine?
acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine has a molecular weight of 369.63 g/mol, XLogP of 5.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine is sourced from PubChem (CID 145096142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).